Geometry

Info

ID:

8411

ICSD:

430940

Name:

Tetracopper tetraselenido-triphosphate(I/II)

Comp.:

Cu4P3Se4

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.000

Eg/Eg':

1.043/0.927 eV

me/mh:

15.785/47.740

K-data

high symmetry path:

G - Z - T - Y - G - X - V - R - U

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands